2-[(2E)-2-thiophen-3-ylidenepiperidin-1-yl]butanoate

Systemtic Name: 2-[(2E)-2-thiophen-3-ylidenepiperidin-1-yl]butanoate Openeye Name: 2-[(2E)-2-(3-thienylidene)-1-piperidyl]butanoate CAS Name: 2-[(2E)-2-(3-thiophenylidene)-1-piperidinyl]butanoate IUPAC Name: 2-[(2E)-2-thiophen-3-ylidenepiperidin-1-yl]butanoate Traditional Name: 2-[(2E)-2-(3-thienylidene)piperidino]butyrate Formula: C13H18NO2S- MolecularWeight: 252.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1CCCCC1=C2CSC=C2

Isomeric SMILES

CCC(C(=O)[O-])N\1CCCC/C1=C/2\CSC=C2

InChI

InChI=1S/C13H19NO2S/c1-2-11(13(15)16)14-7-4-3-5-12(14)10-6-8-17-9-10/h6,8,11H,2-5,7,9H2,1H3,(H,15,16)/p-1/b12-10+